Chem
J-GLOBAL ID：200907031247221916   Nikkaji number：J2.756.245K

(6S)-6β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

(6S)-6β-ヒドロキシ-1,4,5,6-テトラヒドロニコチンアミドアデニンジヌクレオチド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H31N7O15P2
Molecular formula furigana： C21-H31-N7-O15-P2
Molecular weight： 683.461
InChI： InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChI key： IDBZKGQRLBFUFQ-VPHRTNKSSA-N
SMILES： NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](O)[C@H]2O)[C@@H](O)CC1
Systematic name  (3)：
  • (6S)-1-[5-O-(5′-アデニリルホスホノ)-β-D-リボフラノシル]-6-ヒドロキシ-1,4,5,6-テトラヒドロニコチンアミド
  • [({[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}(ヒドロキシ)ホスホリル)オキシ]({[(2R,3S,4R,5R)-5-[(2S)-5-カルバモイル-2-ヒドロキシ-1,2,3,4-テトラヒドロピリジン-1-イル]-3,4-ジヒドロキシオキソラン-2-イル]メトキシ})ホスフィン酸
  • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(2S)-5-carbamoyl-2-hydroxy-1,2,3,4-tetrahydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid
Other name (3)：
  • (6S)-1-[5-O-(5′-Adenylylphosphono)-β-D-ribofuranosyl]-6-hydroxy-1,4,5,6-tetrahydronicotinamide
  • (6S)-6β-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
  • (6S)-6β-ヒドロキシ-1,4,5,6-テトラヒドロニコチンアミドアデニンジヌクレオチド
KEGG COMPOUND： C04856
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